Re: [Wien] question about optical properties

2014-11-09 Thread Mona Rahimian
, Shiraz, Iran E-mail address:rahimia...@ymail.com From: ‪Peter Blaha‬ ‪pbl...@theochem.tuwien.ac.at‬ To: ‪A Mailing list for WIEN2k users‬ ‪wien@zeus.theochem.tuwien.ac.at‬ Sent: Tuesday, 28 October 2014, 4:41:30 Subject: Re: [Wien] question about optical properties

Re: [Wien] question about optical properties

2014-10-28 Thread Peter Blaha
In practice they are the same. In principle you have to calculate in addition the interband transitions (6 in joint) and get the plasma frequency. This plasma frequency should be added as input in case.inkram, but I guess it is not programmed for a spin-polarized case. As it concerns only

[Wien] question about optical properties

2014-10-07 Thread ben amara imen
Dear all , I'm working on magnetic semiconductor: it is a half metal : a semiconductor for spin up and a metal for spin down. When I calculate the optical properties , I do it for spin up ( a semiconducting aspect ) and for spin down ( metallic aspect) , then I addjoint the two spin up-dn *My